| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:06 UTC |
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| Update Date | 2025-03-21 18:32:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088653 |
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| Frequency | 32.0 |
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| Structure | |
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| Chemical Formula | C9H10O6S |
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| Molecular Mass | 246.0198 |
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| SMILES | Cc1cc(O)c(C)c(C(=O)OS(=O)(=O)O)c1 |
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| InChI Key | NNSHOTJFOHGKQR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativeshydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsortho cresolssulfuric acid monoestersp-xylenesp-xylenols |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesm-cresolbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundxyleneorganic oxidemonocarboxylic acid or derivativesp-xyleneorganic oxygen compoundxylenolo-cresolp-xylenolphenolhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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